2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone

C17H26BrClO2Si — CID 86043103

IUPAC2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(C)[Si](Oc1ccc(C(=O)CBr)c(Cl)c1)(C(C)C)C(C)C
InChIInChI=1S/C17H26BrClO2Si/c1-11(2)22(12(3)4,13(5)6)21-14-7-8-15(16(19)9-14)17(20)10-18/h7-9,11-13H,10H2,1-6H3
InChIKeyFUNTWFGPQXOLPC-UHFFFAOYSA-N
MW405.84 g/mol
LogP6.47
Rot. Bonds7

About 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone

2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone (PubChem CID 86043103) has the molecular formula C17H26BrClO2Si and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
PubChem CID86043103
Molecular FormulaC17H26BrClO2Si
Molecular Weight405.84 g/mol
Exact Mass404.06
IUPAC Name2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone
SMILESCC(C)[Si](Oc1ccc(C(=O)CBr)c(Cl)c1)(C(C)C)C(C)C
InChIInChI=1S/C17H26BrClO2Si/c1-11(2)22(12(3)4,13(5)6)21-14-7-8-15(16(19)9-14)17(20)10-18/h7-9,11-13H,10H2,1-6H3
InChIKeyFUNTWFGPQXOLPC-UHFFFAOYSA-N
XLogP6.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(2-chloro-4-ethoxyphenyl)propan-1-one
CID 134624497
2-propan-2-yl-4-tri(propan-2-yl)silyloxybenzoic acid
CID 90905151
[3-chloro-5-tri(propan-2-yl)silyloxyphenyl]-(2,4-dichlorophenyl)methanone
CID 135018444
2-[3-chloro-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154091734
1-(3-chloro-2,5-dihydroxyphenyl)ethanone;1-[3-chloro-2-hydroxy-5-tri(propan-2-yl)silyloxyphenyl]ethanone
CID 162249500
4-amino-1-(2-chloro-4-methoxyphenyl)pentan-1-one
CID 116916226
2-(trifluoromethoxy)-4-tri(propan-2-yl)silyloxybenzoic acid
CID 142396089
4-chloro-1-(2-chloro-4-ethoxyphenyl)butan-1-one
CID 82267613
4-(2-aminopropoxy)-2-chlorobenzoic acid
CID 167724006
3-bromo-1-[2-chloro-4-(trifluoromethoxy)phenyl]propan-1-one
CID 134625193
ethyl 2-butyl-4-tri(propan-2-yl)silyloxybenzoate
CID 91579948
1-(4-amino-2,5-dichlorophenyl)-2-bromoethanone
CID 171013966

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The IUPAC name of 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone (CID 86043103) is 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone is CC(C)[Si](Oc1ccc(C(=O)CBr)c(Cl)c1)(C(C)C)C(C)C.
What is the InChIKey of 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone?
The InChIKey is FUNTWFGPQXOLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrClO2Si/c1-11(2)22(12(3)4,13(5)6)21-14-7-8-15(16(19)9-14)17(20)10-18/h7-9,11-13H,10H2,1-6H3.
What are the key properties of 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone?
2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone has a molecular weight of 405.84 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-chloro-4-tri(propan-2-yl)silyloxyphenyl]ethanone is sourced from PubChem (CID 86043103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).